5TUOA

Crystal structure of the complex of helicobacter pylori alpha-carbonic anhydrase with 5-amino-1,3,4-thiadiazole-2-sulfonamide inhibitor.
Warning
  • Chain breaks within knot 31 (displayed as a gray area on the plot and as '-' on the sequence). The broken part of the chain has been replaced by a straight segment, which may affect what knot types are detected - be careful with interpreting results.
Genus: 51
Knot K +31

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Knot core range Knot core length Knot tails range Slipknot tails range Slipknot loops range N-end length C-end length Type
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+31 30-219 190 1-29, 220-227 29 8 knot
Chain Sequence
TKWDYKNKENGPHRWDKLHKDFEVCKSGKSQSPINIEHYYHTQ---DLQFKYAASKPKAVFFTHHTLKASFEPTNHINYRGHDYVLDNVHFHAPMEFLINNKTRPLSAHFVHKDAKGRLLVLAIGFEEGKENPNLDPILEGIQKKQNFKEVALDAFLPKSINYYHFNGSLTAPPCTEGVAWFVIEEPLEVSAKQLAEIKKRMKNSPNQRPVQPDYNTVIIKSSAETR
Note, that the numbers in the matrix denote the consecutive residues in the loop, not the index of amino acids in the chain!
Knot K 3x +31

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Knot core range Knot core length Knot tails range Slipknot tails range Slipknot loops range N-end length C-end length Type
+ 31 28-204 177 1-27, 205-212 27 8 knot
Fingerprint Knot forming loop Loop type
K +31
Chain closureThr21 <-> Arg247
... His129 <->
Bridging ionZn301
<-> His112 ... Thr21		 probabilistic
K +31
Chain closureThr21 <-> Arg247
... His129 <->
Bridging ionZn301
<-> His110 ... Thr21		 probabilistic
K +31
Chain closureThr21 <-> Arg247
... His112 <->
Bridging ionZn301
<-> His110 ... Thr21		 probabilistic
Chain Sequence
TKWDYKNKENGPHRWDKLHKDFEVCKSGKSQSPINIEHYYHTQ---DLQFKYAASKPKAVFFTHHTLKASFEPTNHINYRGHDYVLDNVHFHAPMEFLINNKTRPLSAHFVHKDAKGRLLVLAIGFEEGKENPNLDPILEGIQKKQNFKEVALDAFLPKSINYYHFNGSLTAPPCTEGVAWFVIEEPLEVSAKQLAEIKKRMKNSPNQRPVQPDYNTVIIKSSAETR
Whole chain analysis

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Subchain analysis 

Knotoid cutoff: 0.5


Knotoid matrix content: 1


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Knot core range Knot core length Knot tails range Slipknot tails range Slipknot loops range N-end length C-end length Type
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3.1 30-224 195 1-29, 225-227 29 3 knot
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2.1 30-218 189 1-29 225-227 219-224 29 3 slipknot
sequence length 227
structure length 224
publication title Structure-Activity Relationship for Sulfonamide Inhibition of Helicobacter pylori alpha-Carbonic Anhydrase.
pubmed doi rcsb
molecule tags Lyase/lyase inhibitor
molecule keywords Alpha-carbonic anhydrase
source organism Helicobacter pylori (strain atcc 700392 / 26695)
missing residues 44-46
total genus Genus: 51
ec nomenclature
pdb deposition date 2016-11-06
KnotProt deposition date 2018-10-19
Image from the rcsb pdb (www.rcsb.org)
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similar chains in the KnotProt database (?% sequence similarity)
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similar chains in the pdb database (?% sequence similarity)

  
#similar chains in the KnotProt database (?% sequence similarity)
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#similar chains, but unknotted
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#similar chains in the pdb database (?% sequence similarity)
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How to cite
KnotProt | Interdisciplinary Laboratory of Biological Systems Modelling